Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6NCZ5UCB5V
EPA CompTox DTXSID7071529

Structure

InChI Key QIMQRAOUTRFLRN-UHFFFAOYSA-N
Smiles NCCCNC/C=C/CNCCCN
InChI
InChI=1S/C10H24N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-2,13-14H,3-12H2/b2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H24N4
Molecular Weight 200.2
AlogP -0.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 76.1
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 170860-50-1
NORMAN SUSDAT
FDA SRS 6NCZ5UCB5V
PubChem 110236
ChemSpider 98979.0